Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3000261 | 0.90 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1ATMLMNA | |
| SCHEMBL3248337 | 0.89 | ALDH1A1 (0.75) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL4256056 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1ATMLMNA | |
| SCHEMBL2996112 | 0.87 | ALDH1A1 (0.76) | ALDH1A1KMT2AMEN1LMNAPKM | |
| SCHEMBL3115427 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL2996576 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL4253850 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL3265207 | 0.83 | ALDH1A1 (0.67) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL3223845 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 | |
| SCHEMBL3004378 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KMT2ALMNAPKMSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010002483-A1 | OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS | CV THERAPEUTICS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |